(4-ethanoyl-2-methyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate

Systemtic Name: (4-ethanoyl-2-methyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Openeye Name: (4-acetyl-2-methyl-phenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid (4-acetyl-2-methylphenyl) ester IUPAC Name: (4-acetyl-2-methylphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(4-fluorobenzyl)sulfonyl-pyrimidine-4-carboxylic acid (4-acetyl-2-methyl-phenyl) ester Formula: C21H16ClFN2O5S MolecularWeight: 462.878543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H16ClFN2O5S/c1-12-9-15(13(2)26)5-8-18(12)30-20(27)19-17(22)10-24-21(25-19)31(28,29)11-14-3-6-16(23)7-4-14/h3-10H,11H2,1-2H3